Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
| ▸ | GPR52 | Q9Y2T5 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2882576 | 0.83 | IRAK4 (0.44) | IRAK4PARP1DGAT1MEN1ALDH1A1 | |
| SCHEMBL28386490 | 0.77 | DGAT1 (0.43) | CES2IRAK4PARP1DGAT1GAA | |
| SCHEMBL27721639 | 0.76 | KCNK3 (0.39) | CTSSCTSKIRAK4AKT1 | |
| SCHEMBL25557189 | 0.75 | CES2 (0.42) | CES2GAAALDH1A1AKT1 | |
| SCHEMBL5461078 | 0.75 | CES2 (0.42) | CES2GPR52GAAALDH1A1AKT1 | |
| SCHEMBL28887386 | 0.74 | SIRT3 (0.40) | IRAK4PARP1DGAT1LMNAALDH1A1 | |
| SCHEMBL8011592 | 0.74 | IRAK4 (0.38) | IRAK4DGAT1ALDH1A1MAPTKMT2A | |
| SCHEMBL5182718 | 0.73 | TAS2R14 (0.40) | CTSSCES2MAPK10PARP1DGAT1 | |
| SCHEMBL6599789 | 0.73 | ERN1 (0.43) | IRAK4DGAT1ALDH1A1MAPTKMT2A | |
| SCHEMBL28882111 | 0.73 | IRAK4 (0.37) | IRAK4PARP1DGAT1MEN1ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112794831-B | 3- (3' -hydroxybutyl) isobenzofuran-1 (3H) -one derivative, composition, preparation method and application thereof | 北京理工大学 | 2021-07-27 | — | — | CN | disclosed |
| CN-112794831-A | 3- (3' -hydroxybutyl) isobenzofuran-1 (3H) -one derivative, composition, preparation method and application thereof | 北京理工大学 | 2021-05-14 | — | — | CN | disclosed |